Bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-
- Formula: C10H14O
- Molecular weight: 150.2176
- IUPAC Standard InChIKey: KMRMUZKLFIEVAO-UHFFFAOYSA-N
- CAS Registry Number: 564-94-3
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: 2-Norpinene-2-carboxaldehyde, 6,6-dimethyl-; Myrtenal; Benihinal; 6,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-carboxaldehyde; 2-Formyl-6,6-dimethylbicyclo(3.1.1)hept-2-ene; 6,6-Dimethyl-bicyclo[3,1,1]hept-2-ene-2-carboxaldehyde; 6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde; (-)-Myrtenal; (+)-myrtenal; 6,6-dimethyl-bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde (myrtenal); cis-Myrtenal; pin-2-ene-1-carbaldehyde
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, non-polar column, custom temperature program
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | RTX-1 | 5 % Phenyl polydimethyl siloxane | HP-5 MS | |
Column length (m) | 30. | 60. | 30. | ||
Carrier gas | Hydrogen | Helium | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.22 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min) | not specified | not specified | 60 0C (1 min) 10 0C -> 180 0C (1 min) 20 0C/min -> 280 0C (15 min) | not specified |
I | 1153. | 1163. | 1197. | 1192. | 1194. |
Reference | Albano, Lima, et al., 2012 | Bendiabdellah, El Amine Dib, et al., 2012 | Chaverri, Diaz, et al., 2011 | Chu, Liu, et al., 2011 | Karimi, Farmany, et al., 2011 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-5 | HP-5 MS | DB-1 | HP-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Hydrogen | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | not specified | 50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C | 40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min) | 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min) | not specified |
I | 1193. | 1204. | 1193. | 1153. | 1191. |
Reference | Xu, Tang, et al., 2010 | Courtois, Paine, et al., 2009 | Mancini, Arnold, et al., 2009 | Mendes, Trindade, et al., 2009 | Riahi, Pourbasheer, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SLB-5 MS | SLB-5 MS | SPB-5 | SPB-5 | DB-1 |
Column length (m) | 30. | 30. | 30. | ||
Carrier gas | Helium | Helium | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min) | not specified | not specified | not specified | 45C => 3C/min => 175C => 15C/min => 300C (10min) |
I | 1197. | 1195. | 1193. | 1206. | 1153. |
Reference | Costa, De Fina, et al., 2008 | Costa, De Fina, et al., 2008 | Kilani, Ledauphin, et al., 2008 | Kilani, Ledauphin, et al., 2008 | Nogueira, Marcelo-Curto, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | BP-5 | HP-1 | CP Sil 8 CB | DB-5 |
Column length (m) | 30. | 30. | 30. | 50. | 30. |
Carrier gas | He | He | He | Hydrogen | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.2 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.33 | 0.25 | 0.25 |
Program | 75C(4min) => 5C/min => 135C => 1C/min => 220C => 10C/min => 280C | 60C => 4C/min => 150C => 10C/min => 220C | 60C(5min) => 3C/min => 180C => 20C/min => 280C(10min) | 60 0C (2 min) 5 0C/min -> 160 0C 5 0C/min -> 250 0C (10 min) | 35 0C (2 min) 4 0C/min -> 180 0C 20 0C -> 280 0C |
I | 1193. | 1194. | 1197. | 1196. | 1196. |
Reference | Duschatzky, Almeida, et al., 2007 | Hashemi, Abolghasemi, et al., 2007 | Merle, Verdeguer, et al., 2007 | Mockute, Bernotiene, et al., 2007 | Pontes, de Oliveira, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | BPX-5 | DB-1 | BPX-5 | SE-52 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.15 | |
Program | 40C(10min) => 3C/min => 200C => 2C/min => 220C | 50C => 3C/min => 150C(10min) => 10C/min => 250C | 45C => 3C/min => 175C => 15C/min => 300C (10min) | 50C => 3C/min => 150C (10min) => 10C/min => 250C | 45C => 1C/min => 100C => 5C/min => 250C (10min) |
I | 1197. | 1185. | 1153. | 1185. | 1196. |
Reference | Takaku, Haber, et al., 2007 | Baris, Güllüce, et al., 2006 | Figueiredo A.C., Barroso J.G., et al., 2006 | Ozer H., Kilic H., et al., 2006 | Tognolini, Barocelli, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | BPX-5 | BPX-5 | Methyl Silicone | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.25 | |
Program | 40C(1min) => 9C/min => 130C => 2C/min => 230C | 60C(1min) => 3.5C/min => 180C => 20C/min => 280C(2min) | 50C => 3C/min => 150C(10min) => 10C/min => 250C | not specified | 40C(1min) => 9C/min => 130C => 2C/min => 230C |
I | 1197. | 1193. | 1184. | 1192. | 1197. |
Reference | Hamm, Bleton, et al., 2005 | Koutsoudaki, Krsek, et al., 2005 | Özer, Sahín, et al., 2005 | Couladis, Özcan, et al., 2004 | Hamm, Bleton, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | HP-5 | SE-30 | CP Sil 8 CB | HP-5 |
Column length (m) | 30. | 30. | 50. | 30. | |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 45C => 3C/min => 175C => 15C/min => 300C (10min) | 40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C | not specified | 70C(5min) => 3C/min => 100C (1min) => 25C/min => 250C (10min) | not specified |
I | 1153. | 1193. | 1180. | 1193. | 1190. |
Reference | Miguel, Simões, et al., 2004 | Senatore, Apostolides Arnold, et al., 2004 | Vinogradov, 2004 | Mockute and Judzentiene, 2003 | Aparicio, Romero, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | CP Sil 5 CB | HP-5 | OV-1 | CP Sil 5 CB |
Column length (m) | 30. | 50. | 30. | 50. | 25. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | |
Phase thickness (μm) | 0.25 | 1.2 | 0.25 | 0.25 | 0.39 |
Program | 45 0C 3 K/min -> 175 0C 15 K/min -> 300 0C (10 min) | 36C => 20C/min => 120C(20min) => 2C/min => 250C(30min) | 50 0C 3 K/min -> 200 0C 8 K/min -> 280 0C | 1)50C(1min) => 4C/min => 180C => 2C/min => 250C(10min) 2)50C(1min) => 6C/min => 200C => 12C/min => 250C(5min) | not specified |
I | 1153. | 1182. | 1184. | 1220. | 1171. |
Reference | Figueiredo, Miguel, et al., 2001 | Lermusieau, Bulens, et al., 2001 | Usubillaga, Aparicio, et al., 2001 | Kökdil, 1998 | Weyerstahl, Marschall, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 5 CB | DB-1 | DB-5 | CP Sil 5 CB | Polydimethyl siloxanes |
Column length (m) | 25. | 30. | 30. | ||
Carrier gas | N2 | He | N2 | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | |||
Phase thickness (μm) | 0.39 | 0.25 | |||
Program | not specified | 45C => 3C/min => 175C => 15C/min => 280C | not specified | not specified | not specified |
I | 1173. | 1153. | 1193. | 1174. | 1175. |
Reference | Weyerstahl, Marschall, et al., 1998, 2 | Gaspar, Palma, et al., 1997 | Isidorov, Zenkevich, et al., 1997 | Weyerstahl, Marschall, et al., 1997 | Zenkevich, 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Packed |
---|---|---|---|
Active phase | DB-1 | OV-101 | OV-101 |
Column length (m) | 30. | 2.5 | |
Carrier gas | H2 | N2 | |
Substrate | Chromosorb G 60-80mesh DMCS | ||
Column diameter (mm) | 0.25 | ||
Phase thickness (μm) | 0.25 | ||
Program | 45 0C 3 0C/min -> 175 0C 15 0C/min -> 240 0C (10 min) | not specified | not specified |
I | 1153. | 1169. | 1173. |
Reference | Barroso, Figueiredo, et al., 1996 | De Pooter, Vermeesch, et al., 1989 | Swigar and Silverstein, 1981 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Chemical composition of the essential oil of Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon,
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Usubillaga, A.; Aparicio, R.; Romero, M.; Rojas, L.B.; Khouri, N.,
Volatile constituents from the leaves of four Libanothamus species from the Venezuelan Andes,
Flavour Fragr. J., 2001, 16, 3, 209-211, https://doi.org/10.1002/ffj.981
. [all data]
Kökdil, 1998
Kökdil, G.,
Composition of the essential oil of Clinopodium vulgare L. ssp. arundanum (Boiss.) Nyman collected from two different localities in Turkey,
Flavour Fragr. J., 1998, 13, 3, 170-172, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<170::AID-FFJ721>3.0.CO;2-H
. [all data]
Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Weirauch, M.; Thefeld, K.; Surburg, H.,
Constituents of commercial Labdanum oil,
Flavour Fragr. J., 1998, 13, 5, 295-318, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<295::AID-FFJ751>3.0.CO;2-I
. [all data]
Weyerstahl, Marschall, et al., 1998, 2
Weyerstahl, P.; Marschall, H.; Thefeld, K.; Subba, G.C.,
Constituents of the essential oil from the rhizomes of Hedychium gardnerianum Roscoe,
Flavour Fragr. J., 1998, 13, 6, 377-388, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<377::AID-FFJ755>3.0.CO;2-F
. [all data]
Gaspar, Palma, et al., 1997
Gaspar, H.; Palma, F.M.S.B.; de la Torre, M.C.; Rodríguez, B.; Barroso, J.G.; Figueiredo, A.C.,
Composition of the essential oil of Teucrium haenseleri Boiss.,
Flavour Fragr. J., 1997, 12, 5, 355-357, https://doi.org/10.1002/(SICI)1099-1026(199709/10)12:5<355::AID-FFJ656>3.0.CO;2-B
. [all data]
Isidorov, Zenkevich, et al., 1997
Isidorov, V.; Zenkevich, I.; Sacharevich, T.,
Calculation of Gas Chromatographic Retention Indices for Monoterpenes and Terpenoids from Their Physico-Chemical Constants,
Chem. Anal. (Warsaw), 1997, 42, 627-634. [all data]
Weyerstahl, Marschall, et al., 1997
Weyerstahl, P.; Marschall, H.; Seelmann, I.; Rustaiyan, A.,
Constituents of the essential oil of Achillea eriophora DC,
Flavour Fragr. J., 1997, 12, 2, 71-78, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<71::AID-FFJ620>3.0.CO;2-E
. [all data]
Zenkevich, 1997
Zenkevich, I.G.,
Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Spectral Identificaiton. Oxsigenated derivatives of Mono- and Sesquiterpene Hydrocarbons,
Rastit, Resursy (Rus.), 1997, 33, 1, 16-28. [all data]
Barroso, Figueiredo, et al., 1996
Barroso, J.G.; Figueiredo, A.C.; Pedro, L.G.; Antunes, T.; Sevinate-Pinto, I.; Fontinha, S.S.; Scheffer, J.J.C.,
Composition of the essential oil of teucrium heterophyllum L'Her. Grown on Madiera,
Flavour Fragr. J., 1996, 11, 2, 129-132, https://doi.org/10.1002/(SICI)1099-1026(199603)11:2<129::AID-FFJ550>3.0.CO;2-Z
. [all data]
De Pooter, Vermeesch, et al., 1989
De Pooter, H.L.; Vermeesch, J.; Schamp, N.M.,
The Essential Oils of Tanacetum vulgare L. and Tanacetum parthenium (L.) Schultz-Bip,
J. Essent. Oil Res., 1989, 1, 1, 9-13, https://doi.org/10.1080/10412905.1989.9699438
. [all data]
Swigar and Silverstein, 1981
Swigar, A.A.; Silverstein, R.M.,
Monoterpenes, Aldrich Chemical Company, Milwaukee, WI, USA, 1981, 130. [all data]
Notes
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